Compound Detail
CHEMBL26232
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL26232 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGDRSTGWLGZQSQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1178395 |
| Active Moiety | CHEMBL1178395 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
1.60
ALogP
4
HBA
4
HBD
131.0
PSA (Ų)
0.31
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 7.81 | 6.995 | 15.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 15.5 | nM | 7.81 | Compound was tested for its ability to displace [3H]naloxone from Opioid recepto... | 6273560 |
| Opioid receptor | IC50 | = | 660.0 | nM | 6.18 | Compound was tested for its ability to displace [3H]naloxone from Opioid recepto... | 6273560 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6273560 | 10.1021/jm00143a007 | Opioid receptor | 2 |
Data from ChEMBL 36 via Core Engine